
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  141 ( 1112),  selected  141 , name one
# Molecule2: number of CA atoms  141 ( 1112),  selected  141 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    41      24_A - 64_A        4.96    29.60
  LCS_AVERAGE:     22.76

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22       3_A - 24_A        1.98    22.49
  LONGEST_CONTINUOUS_SEGMENT:    22      26_A - 47_A        1.93    27.47
  LONGEST_CONTINUOUS_SEGMENT:    22      56_A - 77_A        1.89    20.55
  LONGEST_CONTINUOUS_SEGMENT:    22      57_A - 78_A        1.62    20.78
  LCS_AVERAGE:     11.38

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19      59_A - 77_A        0.94    20.89
  LCS_AVERAGE:      8.44

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  141
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     A     1_A     A     1_A      0    3   27      0    0    3    3    3    5    8    8   11   14   23   30   35   39   44   51   58   61   62   64 
LCS_GDT     S     2_A     S     2_A      4    5   27      4    4    4    4    4    8   18   24   28   32   34   37   39   41   45   49   51   56   60   64 
LCS_GDT     R     3_A     R     3_A      4   22   27      4    4    4    4    5    9   22   24   25   30   32   32   36   39   44   49   51   54   61   64 
LCS_GDT     I     4_A     I     4_A     14   22   27      4    4    4   11   16   21   24   26   28   29   32   32   36   39   53   57   59   61   62   64 
LCS_GDT     D     5_A     D     5_A     15   22   27      5   10   15   16   20   21   24   26   28   32   34   37   39   41   53   57   59   61   62   64 
LCS_GDT     E     6_A     E     6_A     15   22   27      5   12   15   18   20   21   24   26   28   32   34   37   39   41   53   57   59   61   62   64 
LCS_GDT     K     7_A     K     7_A     15   22   27      5   12   15   18   20   21   24   26   28   32   34   37   41   48   53   57   59   61   62   64 
LCS_GDT     S     8_A     S     8_A     15   22   27      5   12   15   18   20   21   24   26   28   32   34   37   42   48   53   57   59   61   62   64 
LCS_GDT     S     9_A     S     9_A     15   22   27      5   12   15   18   20   21   24   26   28   32   34   37   40   48   53   57   59   61   62   64 
LCS_GDT     K    10_A     K    10_A     15   22   27      5   12   15   18   20   21   24   26   28   32   34   37   42   48   53   57   59   61   62   64 
LCS_GDT     A    11_A     A    11_A     15   22   32      8   12   15   18   20   21   24   26   28   32   34   37   42   48   53   57   59   61   62   64 
LCS_GDT     K    12_A     K    12_A     15   22   32      8   12   15   18   20   21   24   26   28   32   34   37   42   48   53   57   59   61   62   64 
LCS_GDT     V    13_A     V    13_A     15   22   32      8   12   15   18   20   21   24   26   28   32   34   37   42   48   53   57   59   61   62   64 
LCS_GDT     N    14_A     N    14_A     15   22   32      8   12   15   18   20   21   24   26   28   32   34   37   42   48   53   57   59   61   62   64 
LCS_GDT     D    15_A     D    15_A     15   22   32      8   12   15   18   20   21   24   26   28   32   34   37   42   48   53   57   59   61   62   64 
LCS_GDT     F    16_A     F    16_A     15   22   32      8   12   15   18   20   21   24   26   28   32   34   37   42   48   53   57   59   61   62   64 
LCS_GDT     L    17_A     L    17_A     15   22   32      8   12   15   18   20   21   24   26   28   32   34   37   41   48   53   57   59   61   62   64 
LCS_GDT     A    18_A     A    18_A     15   22   32      8   12   15   18   20   21   24   26   28   32   34   37   42   48   53   57   59   61   62   64 
LCS_GDT     E    19_A     E    19_A     15   22   32      8   11   15   18   20   21   24   26   28   30   32   35   41   48   53   57   59   61   62   64 
LCS_GDT     I    20_A     I    20_A     14   22   34      4    9   14   18   20   21   24   26   28   30   32   37   41   48   53   57   59   61   62   64 
LCS_GDT     F    21_A     F    21_A     14   22   35      4    9   14   18   20   21   24   26   28   30   32   37   41   48   53   57   59   61   62   64 
LCS_GDT     K    22_A     K    22_A     14   22   35      4    9   14   18   20   21   24   26   28   30   32   33   41   48   53   57   59   61   62   64 
LCS_GDT     K    23_A     K    23_A     14   22   39      3    9   14   18   20   21   24   26   28   30   32   37   39   41   45   53   59   61   62   64 
LCS_GDT     I    24_A     I    24_A      9   22   41      3    6   12   15   16   20   24   26   28   31   32   37   39   48   53   57   59   61   62   64 
LCS_GDT     G    25_A     G    25_A      4    6   41      3    4    4    6    8   12   24   26   26   30   32   34   40   48   53   57   59   61   62   64 
LCS_GDT     S    26_A     S    26_A      5   22   41      5    5   18   23   24   24   25   26   28   31   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     K    27_A     K    27_A      5   22   41      5    5   16   18   20   21   24   25   27   29   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     E    28_A     E    28_A     18   22   41      5    5    7   17   20   21   24   25   27   29   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     N    29_A     N    29_A     18   22   41     14   17   17   18   20   21   24   25   27   29   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     T    30_A     T    30_A     18   22   41     10   17   17   18   20   21   24   25   27   29   32   37   42   48   53   57   59   61   62   64 
LCS_GDT     K    31_A     K    31_A     18   22   41      8   17   17   18   20   21   24   25   26   28   32   37   42   48   53   57   59   61   62   64 
LCS_GDT     E    32_A     E    32_A     18   22   41     14   17   17   18   20   21   24   25   27   29   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     G    33_A     G    33_A     18   22   41     14   17   17   18   20   21   24   25   27   29   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     L    34_A     L    34_A     18   22   41     14   17   17   18   20   21   24   25   27   29   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     A    35_A     A    35_A     18   22   41     14   17   17   18   20   21   24   25   27   29   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     E    36_A     E    36_A     18   22   41     14   17   17   18   20   21   24   25   27   29   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     L    37_A     L    37_A     18   22   41     14   17   17   18   20   21   24   25   27   29   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     Y    38_A     Y    38_A     18   22   41     14   17   17   18   20   21   24   25   27   29   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     E    39_A     E    39_A     18   22   41     14   17   17   18   20   21   24   25   27   29   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     Y    40_A     Y    40_A     18   22   41     14   17   17   18   20   21   24   25   27   29   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     K    41_A     K    41_A     18   22   41     14   17   17   18   20   21   24   25   27   29   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     K    42_A     K    42_A     18   22   41     14   17   17   18   20   21   24   25   27   29   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     K    43_A     K    43_A     18   22   41     14   17   17   18   20   21   24   25   27   29   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     Y    44_A     Y    44_A     18   22   41     14   17   17   18   20   21   24   25   27   29   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     S    45_A     S    45_A     18   22   41      3   17   17   18   20   21   24   25   27   29   33   37   42   48   53   57   58   60   61   63 
LCS_GDT     D    46_A     D    46_A     12   22   41      4   10   11   12   12   16   19   23   26   27   31   36   40   44   49   53   56   58   60   61 
LCS_GDT     A    47_A     A    47_A     12   22   41      4    9   11   16   20   21   24   25   27   29   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     D    48_A     D    48_A     12   14   41      4   10   11   12   12   13   24   25   27   29   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     I    49_A     I    49_A     12   14   41      4   10   11   16   20   21   24   25   27   29   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     E    50_A     E    50_A     12   14   41      6   10   11   12   13   21   24   25   27   29   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     P    51_A     P    51_A     12   14   41      6   10   11   12   12   16   23   25   27   29   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     F    52_A     F    52_A     12   14   41      6   10   11   12   18   21   24   25   27   29   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     L    53_A     L    53_A     12   14   41      6   10   11   12   12   13   15   21   27   29   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     K    54_A     K    54_A     12   14   41      6   10   11   12   13   16   21   26   28   32   34   37   42   47   53   57   59   61   62   64 
LCS_GDT     N    55_A     N    55_A     12   14   41      6   10   11   14   20   21   24   26   28   32   34   37   42   48   53   57   59   61   62   64 
LCS_GDT     S    56_A     S    56_A     12   22   41      3   10   11   12   14   17   20   25   28   31   32   37   42   47   53   57   59   61   62   64 
LCS_GDT     S    57_A     S    57_A     15   22   41      3   10   17   23   24   24   25   26   28   31   32   37   39   39   41   46   49   54   60   61 
LCS_GDT     Q    58_A     Q    58_A     15   22   41      4   10   15   23   24   24   25   26   28   31   33   37   42   47   53   57   59   60   62   64 
LCS_GDT     F    59_A     F    59_A     19   22   41      4   10   18   23   24   24   25   26   28   31   32   37   39   47   53   57   59   61   62   64 
LCS_GDT     F    60_A     F    60_A     19   22   41      4   15   19   23   24   24   25   26   28   31   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     Q    61_A     Q    61_A     19   22   41      5   16   19   23   24   24   25   26   28   31   33   37   42   48   53   57   59   61   62   64 
LCS_GDT     S    62_A     S    62_A     19   22   41      4   13   19   23   24   24   25   26   28   31   34   37   41   48   53   57   59   61   62   64 
LCS_GDT     Y    63_A     Y    63_A     19   22   41      4   16   19   23   24   24   25   26   28   31   32   37   40   48   53   57   59   61   62   64 
LCS_GDT     V    64_A     V    64_A     19   22   41      5   16   19   23   24   24   25   26   28   31   32   37   40   48   53   57   59   61   62   64 
LCS_GDT     E    65_A     E    65_A     19   22   40      5   16   19   23   24   24   25   26   28   32   34   37   39   41   45   55   59   61   62   64 
LCS_GDT     R    66_A     R    66_A     19   22   36      5   16   19   23   24   24   25   26   28   32   34   37   39   41   45   51   57   61   62   64 
LCS_GDT     G    67_A     G    67_A     19   22   36      7   16   19   23   24   24   25   26   28   31   34   37   39   41   45   49   57   61   62   64 
LCS_GDT     L    68_A     L    68_A     19   22   36      8   16   19   23   24   24   25   26   28   32   34   37   39   41   45   49   51   54   57   63 
LCS_GDT     R    69_A     R    69_A     19   22   36      9   16   19   23   24   24   25   26   28   32   34   37   39   41   45   49   51   54   57   59 
LCS_GDT     V    70_A     V    70_A     19   22   36      9   16   19   23   24   24   25   26   28   32   34   37   39   41   45   49   51   54   57   59 
LCS_GDT     I    71_A     I    71_A     19   22   36      9   16   19   23   24   24   25   26   28   32   34   37   39   41   45   49   51   54   57   59 
LCS_GDT     E    72_A     E    72_A     19   22   36      9   16   19   23   24   24   25   26   28   31   32   37   39   41   45   49   51   54   57   59 
LCS_GDT     M    73_A     M    73_A     19   22   36      9   16   19   23   24   24   25   26   28   32   34   37   39   41   45   49   51   54   57   59 
LCS_GDT     E    74_A     E    74_A     19   22   36      9   16   19   23   24   24   25   26   28   32   34   37   39   41   45   49   51   54   57   59 
LCS_GDT     R    75_A     R    75_A     19   22   36      9   16   19   23   24   24   25   26   28   31   32   37   39   41   45   49   51   54   57   59 
LCS_GDT     E    76_A     E    76_A     19   22   36      9   16   19   23   24   24   25   26   28   31   32   37   39   39   41   43   46   53   57   59 
LCS_GDT     G    77_A     G    77_A     19   22   36      9   15   19   23   24   24   25   26   28   31   32   37   39   39   44   49   51   53   57   59 
LCS_GDT     K    78_A     K    78_A      4   22   36      3    5    6   12   16   20   23   26   27   32   34   37   39   40   44   49   51   53   57   59 
LCS_GDT     G    79_A     G    79_A      4    9   36      3    5    6    9   12   16   20   24   28   32   34   37   39   41   45   49   51   54   57   59 
LCS_GDT     R    80_A     R    80_A      4    9   36      3    3    4    7    8   10   13   24   28   32   34   37   39   41   45   49   51   54   57   59 
LCS_GDT     I    81_A     I    81_A      4    9   36      3    3    4    4    8   10   13   20   26   32   34   37   39   41   45   49   51   54   57   59 
LCS_GDT     S    82_A     S    82_A      3    9   36      3    3    4    4    7   10   13   20   26   30   34   37   39   40   44   49   51   54   57   59 
LCS_GDT     T    83_A     T    83_A      3    9   36      3    4    4    7    8   10   16   24   28   32   34   37   39   41   45   49   51   54   57   59 
LCS_GDT     S    84_A     S    84_A      3    9   36      3    6    9   11   18   22   23   25   28   32   34   37   39   40   44   49   51   54   57   59 
LCS_GDT     T    85_A     T    85_A      3    9   36      3   10   17   23   24   24   25   26   28   32   34   37   39   40   44   49   51   53   57   58 
LCS_GDT     G    86_A     G    86_A      3    5   36      3    3    4    6    8   24   25   26   27   31   34   37   39   40   44   49   51   53   57   58 
LCS_GDT     I    87_A     I    87_A      4    5   36      3    4    4    5    5    7   10   13   20   29   31   33   35   38   41   43   48   52   54   58 
LCS_GDT     S    88_A     S    88_A      4    5   36      3    3    5    5    5    8   11   13   13   15   15   26   34   35   38   42   48   52   54   57 
LCS_GDT     P    89_A     P    89_A      4    5   34      3    3    4    5    5    6   10   13   13   15   15   18   20   22   31   39   43   44   47   54 
LCS_GDT     Q    90_A     Q    90_A      4    5   19      3    3    4    5    6    7   11   13   13   15   15   18   20   22   24   25   26   27   30   37 
LCS_GDT     M    91_A     M    91_A      3    5   19      3    3    3    6    6    7   11   13   13   15   15   17   17   21   22   23   26   27   30   30 
LCS_GDT     E    92_A     E    92_A      3    4   19      3    3    3    4    6    7    8   12   12   13   14   17   20   22   24   25   26   26   28   28 
LCS_GDT     V    93_A     V    93_A      3    4   19      3    3    4    5    5    6    7    8   10   14   14   17   20   22   24   25   26   27   28   28 
LCS_GDT     T    94_A     T    94_A      4    5   19      3    3    4    5    5    5    7    8   11   14   14   17   20   22   24   25   26   27   28   28 
LCS_GDT     C    95_A     C    95_A      4    5   19      3    3    4    5    5    5    7   10   11   14   14   17   20   22   24   25   26   27   28   28 
LCS_GDT     V    96_A     V    96_A      4    5   19      3    3    4    5    6    7    8   10   12   13   14   17   18   22   24   25   26   27   28   28 
LCS_GDT     P    97_A     P    97_A      4    6   19      3    5    5    6    6    7    8    9   12   13   14   16   18   21   24   25   26   27   28   28 
LCS_GDT     T    98_A     T    98_A      4    6   19      3    5    5    6    6    7    8   10   12   14   14   17   20   22   24   25   26   27   28   28 
LCS_GDT     P    99_A     P    99_A      4    6   19      3    5    5    6    6    7    8   10   12   14   14   17   20   22   24   25   26   27   30   30 
LCS_GDT     T   100_A     T   100_A      4    6   19      3    5    5    6    6    7   10   11   12   14   15   18   20   22   24   25   26   27   30   35 
LCS_GDT     S   101_A     S   101_A      3    6   19      3    3    3    5    6    6    6    9   11   15   15   18   20   22   24   25   26   30   40   47 
LCS_GDT     T   102_A     T   102_A      4    6   19      3    5    5    6    6    8   11   13   13   15   30   33   34   37   38   42   45   47   50   53 
LCS_GDT     V   103_A     V   103_A      4    4   19      3    4    5    5    6    8   11   13   23   29   31   33   35   38   41   43   45   48   53   57 
LCS_GDT     S   104_A     S   104_A      4    4   19      3    4    5    5    6   11   21   24   27   31   32   35   39   39   44   47   51   54   57   59 
LCS_GDT     S   105_A     S   105_A      4    5   28      6   16   19   23   24   24   25   26   28   31   32   37   39   41   45   47   51   54   56   59 
LCS_GDT     I   106_A     I   106_A      4    5   28      3    8   15   16   23   24   24   26   28   31   32   37   39   41   45   47   51   54   56   59 
LCS_GDT     G   107_A     G   107_A      4    8   28      3    6    8   10   15   16   24   26   26   26   28   31   37   41   45   47   51   54   56   59 
LCS_GDT     N   108_A     N   108_A      6    8   28      3    5    6    6    8   12   12   16   19   22   26   28   30   33   38   41   44   47   52   57 
LCS_GDT     T   109_A     T   109_A      6    8   28      3    5    6    6    7    9   11   17   20   22   26   28   30   33   35   40   41   42   46   52 
LCS_GDT     N   110_A     N   110_A      6    8   28      4    5    6    6    7    9   12   14   16   17   20   24   27   30   33   35   37   40   46   49 
LCS_GDT     G   111_A     G   111_A      6    8   28      4    5    6    6    7    9    9   10   12   18   20   24   26   29   33   35   38   40   43   49 
LCS_GDT     E   112_A     E   112_A      6    8   28      4    5    6    6    7    9   12   14   20   21   24   28   30   32   35   40   41   42   46   49 
LCS_GDT     E   113_A     E   113_A      6   20   28      4    5    6    7   10   14   19   21   21   22   26   28   30   33   38   41   44   47   52   57 
LCS_GDT     V   114_A     V   114_A     18   20   28      4   13   17   18   18   19   19   21   21   21   21   28   30   33   35   40   42   47   50   55 
LCS_GDT     G   115_A     G   115_A     18   20   28      4   13   17   18   18   19   19   21   21   22   26   28   30   33   38   41   44   47   52   57 
LCS_GDT     P   116_A     P   116_A     18   20   28      9   14   17   18   18   19   19   21   21   22   26   28   30   33   38   41   44   47   52   57 
LCS_GDT     S   117_A     S   117_A     18   20   28      9   14   17   18   18   19   19   21   21   22   26   28   30   33   38   41   44   47   52   57 
LCS_GDT     V   118_A     V   118_A     18   20   28      9   14   17   18   18   19   19   21   21   22   26   28   30   33   38   41   44   47   52   57 
LCS_GDT     Y   119_A     Y   119_A     18   20   28      9   14   17   18   18   19   19   21   21   21   24   28   30   32   38   41   44   47   52   57 
LCS_GDT     L   120_A     L   120_A     18   20   28      9   14   17   18   18   19   19   21   21   21   24   28   30   32   38   41   44   47   52   57 
LCS_GDT     E   121_A     E   121_A     18   20   28      9   14   17   18   18   19   19   21   21   21   24   28   30   32   38   41   44   47   52   57 
LCS_GDT     R   122_A     R   122_A     18   20   28      8   14   17   18   18   19   19   21   21   21   24   28   30   34   38   41   44   47   52   57 
LCS_GDT     L   123_A     L   123_A     18   20   28      8   14   17   18   18   19   19   21   21   21   24   28   30   32   38   41   44   47   52   57 
LCS_GDT     K   124_A     K   124_A     18   20   28      8   14   17   18   18   19   19   21   21   21   24   28   30   32   38   41   44   47   52   57 
LCS_GDT     I   125_A     I   125_A     18   20   28      9   14   17   18   18   19   19   21   21   21   26   28   31   34   35   38   46   47   57   59 
LCS_GDT     L   126_A     L   126_A     18   20   28      7   13   17   18   18   19   19   21   21   21   26   28   31   34   35   38   44   47   52   57 
LCS_GDT     R   127_A     R   127_A     18   20   28      8   13   17   18   18   19   19   21   21   21   24   28   30   32   35   40   44   47   52   57 
LCS_GDT     Q   128_A     Q   128_A     18   20   28      9   14   17   18   18   19   19   21   21   21   26   28   31   34   35   38   44   47   52   57 
LCS_GDT     R   129_A     R   129_A     18   20   28      5   14   17   18   18   19   19   21   21   21   26   28   31   34   34   37   40   42   49   57 
LCS_GDT     C   130_A     C   130_A     18   20   28      9   14   17   18   18   19   19   21   21   21   24   28   30   32   35   38   40   42   50   57 
LCS_GDT     G   131_A     G   131_A     18   20   28      5   14   17   18   18   19   19   21   21   21   24   28   31   34   35   38   40   42   52   57 
LCS_GDT     L   132_A     L   132_A      3   20   28      3    4    8   15   18   19   19   21   21   21   26   28   31   34   34   35   38   43   52   57 
LCS_GDT     D   133_A     D   133_A      3    5   27      3    3    3    6    6    8   11   14   15   19   26   28   31   34   34   35   38   38   39   44 
LCS_GDT     N   134_A     N   134_A      3    5   26      3    3    4    6    6    8   11   14   16   19   26   28   31   34   34   35   38   38   39   44 
LCS_GDT     T   135_A     T   135_A      3    5   26      3    3    4    4    5    5   11   15   16   20   21   28   31   34   34   35   38   38   39   43 
LCS_GDT     K   136_A     K   136_A      4    5   26      3    4    4    5    5    5    6    7    8    8    9    9   22   29   32   34   38   38   39   42 
LCS_GDT     Q   137_A     Q   137_A      4    5   26      3    4    4    5    5    5    6    7    8    8    9    9   10   11   11   12   18   24   39   41 
LCS_GDT     D   138_A     D   138_A      4    5   10      3    4    4    5    5    5    5    7    8    8    9    9   10   10   11   12   14   15   15   15 
LCS_GDT     D   139_A     D   139_A      4    5   10      3    4    4    5    5    5    5    6    8    8    9    9   10   10   10   11   14   15   15   15 
LCS_GDT     R   140_A     R   140_A      3    5   10      3    3    4    5    5    5    5    6    8    8    9    9   10   10   10   10   10   18   19   21 
LCS_GDT     P   141_A     P   141_A      3    4   10      3    3    3    4    4    4    4    5    8    8    9    9   10   10   10   11   12   18   19   21 
LCS_AVERAGE  LCS_A:  14.19  (   8.44   11.38   22.76 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     14     17     19     23     24     24     25     26     28     32     34     37     42     48     53     57     59     61     62     64 
GDT PERCENT_AT   9.93  12.06  13.48  16.31  17.02  17.02  17.73  18.44  19.86  22.70  24.11  26.24  29.79  34.04  37.59  40.43  41.84  43.26  43.97  45.39
GDT RMS_LOCAL    0.31   0.47   0.87   1.18   1.28   1.28   1.43   1.69   2.59   3.34   3.49   3.72   4.67   5.41   5.64   6.04   6.28   6.72   6.73   6.98
GDT RMS_ALL_AT  26.26  26.04  20.83  20.74  20.76  20.76  20.77  20.72  20.13  23.48  23.58  23.56  30.09  28.83  28.70  27.90  27.21  26.31  26.37  25.82

# Checking swapping
#   possible swapping detected:  E     6_A      E     6_A
#   possible swapping detected:  D    15_A      D    15_A
#   possible swapping detected:  E    36_A      E    36_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  Y    44_A      Y    44_A
#   possible swapping detected:  D    46_A      D    46_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  F    52_A      F    52_A
#   possible swapping detected:  F    60_A      F    60_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  E   113_A      E   113_A
#   possible swapping detected:  E   121_A      E   121_A
#   possible swapping detected:  D   133_A      D   133_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     1_A      A     1_A    41.861     0    0.062   0.096    43.259    0.000    0.000
LGA    S     2_A      S     2_A    36.603     0    0.688   0.831    38.395    0.000    0.000
LGA    R     3_A      R     3_A    38.726     0    0.026   1.623    39.599    0.000    0.000
LGA    I     4_A      I     4_A    38.980     0    0.069   0.088    39.491    0.000    0.000
LGA    D     5_A      D     5_A    37.292     0    0.151   1.165    38.911    0.000    0.000
LGA    E     6_A      E     6_A    32.168     0    0.029   0.472    34.030    0.000    0.000
LGA    K     7_A      K     7_A    31.300     0    0.026   0.037    32.238    0.000    0.000
LGA    S     8_A      S     8_A    34.570     0    0.024   0.040    36.799    0.000    0.000
LGA    S     9_A      S     9_A    31.809     0    0.024   0.733    32.834    0.000    0.000
LGA    K    10_A      K    10_A    26.892     0    0.117   1.015    28.793    0.000    0.000
LGA    A    11_A      A    11_A    29.370     0    0.051   0.057    31.660    0.000    0.000
LGA    K    12_A      K    12_A    29.819     0    0.046   0.051    38.579    0.000    0.000
LGA    V    13_A      V    13_A    24.700     0    0.040   0.866    26.698    0.000    0.000
LGA    N    14_A      N    14_A    22.851     0    0.041   1.102    23.795    0.000    0.000
LGA    D    15_A      D    15_A    25.105     0    0.061   0.984    29.733    0.000    0.000
LGA    F    16_A      F    16_A    22.506     0    0.056   1.614    26.393    0.000    0.000
LGA    L    17_A      L    17_A    18.017     0    0.051   0.080    19.966    0.000    0.000
LGA    A    18_A      A    18_A    19.544     0    0.075   0.071    21.761    0.000    0.000
LGA    E    19_A      E    19_A    19.082     0    0.092   0.879    24.919    0.000    0.000
LGA    I    20_A      I    20_A    13.638     0    0.078   1.498    15.788    0.119    0.060
LGA    F    21_A      F    21_A    10.540     0    0.163   1.696    14.631    0.000    0.000
LGA    K    22_A      K    22_A    14.602     0    0.635   0.485    25.095    0.000    0.000
LGA    K    23_A      K    23_A    11.954     0    0.446   1.081    17.602    3.214    1.429
LGA    I    24_A      I    24_A     5.836     0    0.409   0.754     8.209   28.690   19.524
LGA    G    25_A      G    25_A     5.765     0    0.489   0.489     5.829   29.405   29.405
LGA    S    26_A      S    26_A     1.813     0    0.607   0.564     5.355   56.190   48.016
LGA    K    27_A      K    27_A     6.983     0    0.036   1.182    16.845   12.500    5.873
LGA    E    28_A      E    28_A     9.749     0    0.088   1.022    11.879    1.429    0.794
LGA    N    29_A      N    29_A     8.710     0    0.310   1.004    10.948    2.619    9.643
LGA    T    30_A      T    30_A    10.267     0    0.048   0.751    13.107    0.357    1.088
LGA    K    31_A      K    31_A    14.225     0    0.030   0.600    20.815    0.000    0.000
LGA    E    32_A      E    32_A    15.327     0    0.043   0.095    17.456    0.000    0.000
LGA    G    33_A      G    33_A    14.678     0    0.042   0.042    17.068    0.000    0.000
LGA    L    34_A      L    34_A    16.499     0    0.050   1.423    19.589    0.000    0.000
LGA    A    35_A      A    35_A    20.388     0    0.037   0.040    23.020    0.000    0.000
LGA    E    36_A      E    36_A    21.561     0    0.032   0.049    23.665    0.000    0.000
LGA    L    37_A      L    37_A    21.359     0    0.054   0.057    24.202    0.000    0.000
LGA    Y    38_A      Y    38_A    23.949     0    0.051   0.267    29.143    0.000    0.000
LGA    E    39_A      E    39_A    27.647     0    0.024   0.894    29.975    0.000    0.000
LGA    Y    40_A      Y    40_A    28.132     0    0.058   0.160    31.385    0.000    0.000
LGA    K    41_A      K    41_A    28.239     0    0.171   0.767    30.139    0.000    0.000
LGA    K    42_A      K    42_A    31.305     0    0.070   1.133    34.488    0.000    0.000
LGA    K    43_A      K    43_A    33.993     0    0.026   0.639    36.254    0.000    0.000
LGA    Y    44_A      Y    44_A    34.175     0    0.542   1.481    39.839    0.000    0.000
LGA    S    45_A      S    45_A    34.318     0    0.473   0.447    35.390    0.000    0.000
LGA    D    46_A      D    46_A    31.872     0    0.362   0.478    32.510    0.000    0.000
LGA    A    47_A      A    47_A    29.339     0    0.147   0.154    31.371    0.000    0.000
LGA    D    48_A      D    48_A    29.240     0    0.045   1.124    31.745    0.000    0.000
LGA    I    49_A      I    49_A    24.295     0    0.066   1.237    26.846    0.000    0.000
LGA    E    50_A      E    50_A    19.261     0    0.042   0.649    21.696    0.000    0.000
LGA    P    51_A      P    51_A    17.634     0    0.052   0.538    21.512    0.000    0.000
LGA    F    52_A      F    52_A    17.717     0    0.038   1.140    23.218    0.000    0.000
LGA    L    53_A      L    53_A    12.412     0    0.024   1.300    14.704    1.905    0.952
LGA    K    54_A      K    54_A     7.762     0    0.062   0.614    10.265    7.976    4.603
LGA    N    55_A      N    55_A    11.340     0    0.031   0.078    17.899    0.000    0.000
LGA    S    56_A      S    56_A     8.066     0    0.528   0.706     9.309   11.190   11.111
LGA    S    57_A      S    57_A     1.902     0    0.594   0.607     3.576   65.476   63.968
LGA    Q    58_A      Q    58_A     2.032     0    0.101   1.023     4.277   68.810   61.005
LGA    F    59_A      F    59_A     1.836     0    0.036   1.247     5.441   75.000   57.662
LGA    F    60_A      F    60_A     0.745     0    0.148   0.166     0.996   90.476   93.074
LGA    Q    61_A      Q    61_A     1.183     0    0.067   0.231     1.889   83.690   78.624
LGA    S    62_A      S    62_A     1.392     0    0.033   0.684     1.815   85.952   81.587
LGA    Y    63_A      Y    63_A     0.524     0    0.089   1.326    11.205   92.857   48.571
LGA    V    64_A      V    64_A     0.862     0    0.068   1.076     3.363   88.214   76.327
LGA    E    65_A      E    65_A     1.186     0    0.023   0.816     3.291   83.690   70.847
LGA    R    66_A      R    66_A     0.914     0    0.041   0.687     2.851   85.952   72.727
LGA    G    67_A      G    67_A     1.155     0    0.067   0.067     1.166   81.429   81.429
LGA    L    68_A      L    68_A     1.150     0    0.068   0.082     2.518   85.952   75.417
LGA    R    69_A      R    69_A     1.023     0    0.055   1.722    10.702   88.214   47.792
LGA    V    70_A      V    70_A     0.853     0    0.092   1.141     2.782   92.857   83.265
LGA    I    71_A      I    71_A     0.461     0    0.029   0.657     2.081   97.619   92.024
LGA    E    72_A      E    72_A     0.741     0    0.023   0.914     4.007   90.476   69.577
LGA    M    73_A      M    73_A     1.086     0    0.036   0.822     3.753   83.690   70.952
LGA    E    74_A      E    74_A     0.928     0    0.045   0.211     1.265   90.476   88.466
LGA    R    75_A      R    75_A     0.415     0    0.045   1.298     6.764   95.238   70.303
LGA    E    76_A      E    76_A     0.921     0    0.049   0.204     1.222   85.952   87.460
LGA    G    77_A      G    77_A     1.545     0    0.333   0.333     2.386   72.976   72.976
LGA    K    78_A      K    78_A     5.899     0    0.527   1.248    15.253   21.548   10.741
LGA    G    79_A      G    79_A    10.066     0    0.071   0.071    12.227    1.190    1.190
LGA    R    80_A      R    80_A    10.796     0    0.375   1.012    17.501    0.476    0.173
LGA    I    81_A      I    81_A     7.862     0    0.622   0.591     9.195    4.524   14.226
LGA    S    82_A      S    82_A     9.178     0    0.621   0.589    13.097    1.548    3.492
LGA    T    83_A      T    83_A    11.658     0    0.634   0.543    15.183    0.476    0.272
LGA    S    84_A      S    84_A     7.142     0    0.220   0.637     9.099   15.119   10.794
LGA    T    85_A      T    85_A     3.094     0    0.628   0.612     5.077   57.738   48.367
LGA    G    86_A      G    86_A     3.508     0    0.553   0.553     7.299   32.976   32.976
LGA    I    87_A      I    87_A     8.941     0    0.413   0.737    12.982    5.476    2.738
LGA    S    88_A      S    88_A    11.734     0    0.268   0.670    14.335    0.000    0.000
LGA    P    89_A      P    89_A    13.415     0    0.106   0.542    16.937    0.000    0.000
LGA    Q    90_A      Q    90_A    18.377     0    0.625   1.241    20.924    0.000    0.000
LGA    M    91_A      M    91_A    22.810     0    0.341   0.815    25.319    0.000    0.000
LGA    E    92_A      E    92_A    27.311     0    0.233   1.323    32.401    0.000    0.000
LGA    V    93_A      V    93_A    29.962     0    0.703   1.387    32.504    0.000    0.000
LGA    T    94_A      T    94_A    29.628     0    0.261   1.161    29.628    0.000    0.000
LGA    C    95_A      C    95_A    32.639     0    0.141   0.787    35.623    0.000    0.000
LGA    V    96_A      V    96_A    33.036     0    0.086   1.167    36.099    0.000    0.000
LGA    P    97_A      P    97_A    29.213     0    0.099   0.409    31.763    0.000    0.000
LGA    T    98_A      T    98_A    28.307     0    0.100   1.000    31.133    0.000    0.000
LGA    P    99_A      P    99_A    22.562     0    0.653   1.023    26.782    0.000    0.000
LGA    T   100_A      T   100_A    19.961     0    0.361   1.207    21.858    0.000    0.000
LGA    S   101_A      S   101_A    15.760     0    0.126   0.659    18.361    0.000    0.000
LGA    T   102_A      T   102_A    10.434     0    0.411   0.981    14.324    2.500    1.429
LGA    V   103_A      V   103_A     8.384     0    0.155   1.152    11.310   13.690    7.823
LGA    S   104_A      S   104_A     4.485     0    0.645   0.613     6.412   47.024   37.063
LGA    S   105_A      S   105_A     0.621     0    0.630   0.569     3.823   81.786   71.270
LGA    I   106_A      I   106_A     4.409     0    0.469   0.487    10.120   28.929   17.976
LGA    G   107_A      G   107_A     8.920     0    0.585   0.585    12.459    5.000    5.000
LGA    N   108_A      N   108_A    14.438     0    0.621   0.593    17.377    0.000    0.000
LGA    T   109_A      T   109_A    17.360     0    0.121   0.120    19.250    0.000    0.000
LGA    N   110_A      N   110_A    23.269     0    0.508   0.459    26.861    0.000    0.000
LGA    G   111_A      G   111_A    22.473     0    0.155   0.155    22.473    0.000    0.000
LGA    E   112_A      E   112_A    18.860     0    0.506   0.896    23.470    0.000    0.000
LGA    E   113_A      E   113_A    12.364     0    0.246   1.150    15.206    0.119    0.053
LGA    V   114_A      V   114_A    13.467     0    0.616   1.378    17.294    0.000    0.000
LGA    G   115_A      G   115_A    12.642     0    0.060   0.060    13.001    0.000    0.000
LGA    P   116_A      P   116_A    13.103     0    0.092   0.570    13.801    0.000    0.000
LGA    S   117_A      S   117_A    12.671     0    0.048   0.694    14.391    0.000    0.000
LGA    V   118_A      V   118_A    12.485     0    0.103   1.339    13.476    0.000    0.000
LGA    Y   119_A      Y   119_A    13.889     0    0.060   0.464    17.587    0.000    0.000
LGA    L   120_A      L   120_A    13.694     0    0.039   1.423    13.948    0.000    0.000
LGA    E   121_A      E   121_A    13.193     0    0.021   0.192    13.839    0.000    0.000
LGA    R   122_A      R   122_A    14.151     0    0.019   1.221    17.431    0.000    0.000
LGA    L   123_A      L   123_A    14.891     0    0.031   0.098    16.193    0.000    0.000
LGA    K   124_A      K   124_A    14.397     0    0.036   0.908    15.040    0.000    0.000
LGA    I   125_A      I   125_A    15.175     0    0.029   0.059    16.025    0.000    0.000
LGA    L   126_A      L   126_A    16.472     0    0.062   1.437    18.863    0.000    0.000
LGA    R   127_A      R   127_A    16.200     0    0.072   1.289    18.655    0.000    0.000
LGA    Q   128_A      Q   128_A    16.660     0    0.096   1.165    18.091    0.000    0.000
LGA    R   129_A      R   129_A    18.398     0    0.031   1.151    19.516    0.000    0.000
LGA    C   130_A      C   130_A    19.236     0    0.254   0.248    21.370    0.000    0.000
LGA    G   131_A      G   131_A    19.639     0    0.666   0.666    19.639    0.000    0.000
LGA    L   132_A      L   132_A    18.695     0    0.625   0.543    20.166    0.000    0.000
LGA    D   133_A      D   133_A    21.495     0    0.060   0.987    24.567    0.000    0.000
LGA    N   134_A      N   134_A    24.040     0    0.458   1.232    25.918    0.000    0.000
LGA    T   135_A      T   135_A    27.226     0    0.670   0.615    27.782    0.000    0.000
LGA    K   136_A      K   136_A    28.231     0    0.644   1.314    29.676    0.000    0.000
LGA    Q   137_A      Q   137_A    33.595     0    0.049   1.063    36.596    0.000    0.000
LGA    D   138_A      D   138_A    38.673     0    0.541   1.424    43.093    0.000    0.000
LGA    D   139_A      D   139_A    43.724     0    0.610   1.247    45.477    0.000    0.000
LGA    R   140_A      R   140_A    46.104     0    0.284   1.316    49.691    0.000    0.000
LGA    P   141_A      P   141_A    45.425     0    0.116   0.697    48.298    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      141     564    564  100.00    1112   1112  100.00               141
SUMMARY(RMSD_GDC):    16.836         16.796                 17.431           16.033   13.774

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  141  141    4.0     26    1.69    21.809    18.385     1.456

LGA_LOCAL      RMSD:   1.686  Number of atoms:   26  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  20.719  Number of assigned atoms:  141 
Std_ASGN_ATOMS RMSD:  16.836  Standard rmsd on all 141 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.330049 * X  +  -0.137304 * Y  +   0.933925 * Z  +  23.125208
  Y_new =  -0.140213 * X  +  -0.971259 * Y  +  -0.192344 * Z  +   1.033718
  Z_new =   0.933492 * X  +  -0.194431 * Y  +   0.301311 * Z  +  -9.744405 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.739870 -1.204032 -0.573053   [DEG: -156.9830  -68.9859  -32.8335 ]
ZXZ:  1.367684  1.264729  1.776144   [DEG:   78.3625   72.4636  101.7656 ]
 
# END of job
